SCHEMBL18005347

SCHEMBL18005347

COc1cc(C)nc(I)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
PDE2A O00408 1/20 0.38
HIF1A Q16665 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17622145 0.85 LMNA (0.48) CYP1A2ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL7052100 0.81 PDE2A (0.55) CYP1A2KMT2AMEN1ALDH1A1HTT
SCHEMBL29450819 0.81 PDE2A (0.55) CYP1A2KMT2AMEN1ALDH1A1HTT
SCHEMBL15759830 0.77 CYP1A2 (0.41) CYP1A2KMT2AMEN1ALDH1A1HTT
SCHEMBL3600351 0.77
SCHEMBL15574022 0.76 SMN1; SMN2 (0.41) CYP1A2ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL423189 0.74 LMNA (0.52) CYP1A2KMT2AMEN1ALDH1A1HTT
SCHEMBL16404828 0.74 SMN1; SMN2 (0.46) CYP1A2KMT2AMEN1ALDH1A1HTT
SCHEMBL9018857 0.73 CYP1A2 (0.44) CYP1A2KMT2AMEN1ALDH1A1HTT
SCHEMBL11752041 0.73 CYP1A2 (0.44) CYP1A2KMT2AMEN1ALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719006-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2022-04-06 EP disclosed
EP-3719006-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2022-04-06 EP disclosed
EP-3719006-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) Arizona Board of Regents on behalf of Arizona State University (US) 2020-10-07 EP disclosed
EP-3719006-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) Arizona Board of Regents on behalf of Arizona State University (US) 2020-10-07 EP disclosed
EP-3259254-B1 DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2020-07-01 EP disclosed
EP-3259254-B1 DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2020-07-01 EP disclosed
US-10364227-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-07-30 US disclosed
US-10364227-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-07-30 US disclosed
US-20180319751-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-11-08 US disclosed
WO-2016133959-A9 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-22 WO disclosed
WO-2016133959-A9 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-22 WO disclosed
EP-3259254-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents on behalf of Arizona State University (US) 2017-12-27 EP disclosed
WO-2016133959-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-08-25 WO disclosed
WO-2016133959-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-08-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180319751-A1 THERAPEUTIC COMPOUNDS SDHA, CYP11B1, CYP11B2 CYP1A2 145/4885KMT2A 4565/4885MEN1 97/4885
US-10364227-B2 Therapeutic compounds SDHA, CYP11B1, CYP11B2 CYP1A2 145/4885KMT2A 4565/4885MEN1 97/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.